(S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide

C18H33NO2SSi — CID 134971582

IUPAC(S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide
SMILESCc1ccc([S@](=O)N[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)cc1
InChIInChI=1S/C18H33NO2SSi/c1-14(2)17(13-21-23(7,8)18(4,5)6)19-22(20)16-11-9-15(3)10-12-16/h9-12,14,17,19H,13H2,1-8H3/t17-,22+/m1/s1
InChIKeyZTKKELPHVOYBCJ-VGSWGCGISA-N
MW355.62 g/mol
LogP4.65
Rot. Bonds7

About (S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide

(S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide (PubChem CID 134971582) has the molecular formula C18H33NO2SSi and a molecular weight of 355.62 g/mol. Its IUPAC name is (S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide.

Molecular Properties

Compound Name(S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide
PubChem CID134971582
Molecular FormulaC18H33NO2SSi
Molecular Weight355.62 g/mol
Exact Mass355.20
IUPAC Name(S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide
SMILESCc1ccc([S@](=O)N[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)cc1
InChIInChI=1S/C18H33NO2SSi/c1-14(2)17(13-21-23(7,8)18(4,5)6)19-22(20)16-11-9-15(3)10-12-16/h9-12,14,17,19H,13H2,1-8H3/t17-,22+/m1/s1
InChIKeyZTKKELPHVOYBCJ-VGSWGCGISA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 3819693
(2S)-3-methyl-2-(p-tolylsulfonylamino)butanol
CID 10106521
N-(1-methoxybutan-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 3776944
[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl] 4-methylbenzenesulfonate
CID 13145044
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 3396713
2-(Tosylamino)butan-1-ol
CID 11021103
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide
CID 91267901
4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide
CID 11427290
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 11977311
N-[(E)-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-4-methylbenzenesulfonamide
CID 13813449
N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 15537762

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide?
The IUPAC name of (S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide (CID 134971582) is (S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide.
What is the SMILES notation for (S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide?
The canonical SMILES for (S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide is Cc1ccc([S@](=O)N[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)cc1.
What is the InChIKey of (S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide?
The InChIKey is ZTKKELPHVOYBCJ-VGSWGCGISA-N. The full InChI is InChI=1S/C18H33NO2SSi/c1-14(2)17(13-21-23(7,8)18(4,5)6)19-22(20)16-11-9-15(3)10-12-16/h9-12,14,17,19H,13H2,1-8H3/t17-,22+/m1/s1.
What are the key properties of (S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide?
(S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide has a molecular weight of 355.62 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-methylbenzenesulfinamide is sourced from PubChem (CID 134971582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).